2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene

C88H110ClN3O2S — CID 157250423

About 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene

2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene (PubChem CID 157250423) has the molecular formula C88H110ClN3O2S and a molecular weight of 1309.39 g/mol. Its IUPAC name is 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene
• PubChem CID: 157250423
• Molecular Formula: C88H110ClN3O2S
• Molecular Weight: 1309.39 g/mol
• Exact Mass: 1307.80
• IUPAC Name: 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene
• SMILES: CC(C)c1ccccc1.CC(C)c1ccccc1.CC1Cc2ccccc2C1.CCc1c[nH]c2ccccc12.CCc1ccc(Cl)nc1.CCc1ccco1.CCc1cccs1.CCc1cn(C)c2ccccc12.COc1ccc(C(C)C)cc1.C[C@@H]1CC1c1ccccc1
• InChI: InChI=1S/C11H13N.C10H11N.C10H14O.2C10H12.2C9H12.C7H8ClN.C6H8O.C6H8S/c1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-2-8-7-11-10-6-4-3-5-9(8)10;1-8(2)9-4-6-10(11-3)7-5-9;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-10(8)9-5-3-2-4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-2-6-3-4-7(8)9-5-6;2*1-2-6-4-3-5-7-6/h4-8H,3H2,1-2H3;3-7,11H,2H2,1H3;4-8H,1-3H3;2-5,8H,6-7H2,1H3;2-6,8,10H,7H2,1H3;2*3-8H,1-2H3;3-5H,2H2,1H3;2*3-5H,2H2,1H3/t;;;;8-,10?;;;;;/m....1...../s1
• InChIKey: AWGUOCVSFXITPZ-PIRITYAYSA-N
• XLogP: 25.59
• TPSA: 55.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.39
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene?

The IUPAC name of 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene (CID 157250423) is 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene.

What is the SMILES notation for 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene?

The canonical SMILES for 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene is CC(C)c1ccccc1.CC(C)c1ccccc1.CC1Cc2ccccc2C1.CCc1c[nH]c2ccccc12.CCc1ccc(Cl)nc1.CCc1ccco1.CCc1cccs1.CCc1cn(C)c2ccccc12.COc1ccc(C(C)C)cc1.C[C@@H]1CC1c1ccccc1.

What is the InChIKey of 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene?

The InChIKey is AWGUOCVSFXITPZ-PIRITYAYSA-N. The full InChI is InChI=1S/C11H13N.C10H11N.C10H14O.2C10H12.2C9H12.C7H8ClN.C6H8O.C6H8S/c1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-2-8-7-11-10-6-4-3-5-9(8)10;1-8(2)9-4-6-10(11-3)7-5-9;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-10(8)9-5-3-2-4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-2-6-3-4-7(8)9-5-6;2*1-2-6-4-3-5-7-6/h4-8H,3H2,1-2H3;3-7,11H,2H2,1H3;4-8H,1-3H3;2-5,8H,6-7H2,1H3;2-6,8,10H,7H2,1H3;2*3-8H,1-2H3;3-5H,2H2,1H3;2*3-5H,2H2,1H3/t;;;;8-,10?;;;;;/m....1...../s1.

What are the key properties of 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene?

2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene has a molecular weight of 1309.39 g/mol, XLogP of 25.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 157250423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).